5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC4CCC[NH+](C4)C)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC[C@H]4CCC[NH+](C4)C)C

InChI

InChI=1S/C21H26N6OS/c1-14-10-23-21(25-19(14)18-7-5-9-29-18)27-15(2)17(12-24-27)20(28)22-11-16-6-4-8-26(3)13-16/h5,7,9-10,12,16H,4,6,8,11,13H2,1-3H3,(H,22,28)/p+1/t16-/m1/s1